Thermal Decay Research Articles

Second-order dissociation and transition of heavy quarkonia in the quark-gluon plasma

We revisit the dissociation of heavy quarkonia by thermal partons at the next-to-leading order (NLO, also known as inelastic parton scattering dissociation) in the quark-gluon plasma (QGP). Utilizing the chromoelectric dipole coupling from quantum chromodynamics (QCD) multipole expansion as an effective Hamiltonian, this has been conducted in the approach of second-order quantum mechanical perturbation theory, which allows us to systematically incorporate the bound state wave functions. Employing the quarkonium wave functions and binding energies obtained from an in-medium potential model, we then numerically evaluate the dissociation cross sections and rates for various charmonia and bottomonia, where the infrared and collinear divergences are regularized by the thermal masses of medium partons. We demonstrate that distinct from the leading order (LO, also known as gluo-dissociation) counterparts peaking at relatively low gluon energy and falling off thereafter, the NLO cross sections first grow and then nearly saturate as the incident parton energy increases, as a result of the outgoing parton carrying away the excess energy. The resulting NLO dissociation rates increase with temperature and take over from the LO counterparts toward high temperatures, similar to pertinent findings from previous studies. We also evaluate the in-medium second-order transition between different bound states, which may contribute to the total thermal decay widths of heavy quarkonia in the QGP. Published by the American Physical Society 2024

Spectroscopic Properties and Reactivity of a MnIII-Hydroperoxo Complex that is Stable at Room Temperature.

Manganese catalysts that activate hydrogen peroxide have seen increased use in organic transformations, such as olefin epoxidation and alkane C-H bond oxidation. Proposed mechanisms for these catalysts involve the formation and activation of MnIII-hydroperoxo intermediates. Examples of well-defined MnIII-hydroperoxo complexes are rare, and the properties of these species are often inferred from MnIII-alkylperoxo analogues. In this study, we show that the reaction of the MnIII-hydroxo complex [MnIII(OH)(6Medpaq)]+ (1) with hydrogen peroxide and acid results in the formation of a dark-green MnIII-hydroperoxo species [MnIII(OOH)(6Medpaq)]+ (2). The formulation of 2 is based on electronic absorption, 1H NMR, IR, and ESI-MS data. The thermal decay of 2 follows a first order process, and variable-temperature kinetic studies of the decay of 2 yielded activation parameters that could be compared with those of a MnIII-alkylperoxo analogue. Complex 2 reacts with the hydrogen-atom donor TEMPOH two-fold faster than the MnIII-hydroxo complex 1. Complex 2 also oxidizes PPh3, and this MnIII-hydroperoxo species is 600-fold more reactive with this substrate than its MnIII-alkylperoxo analogue [MnIII(OOtBu)(6Medpaq)]+. DFT and time-dependent (TD) DFT computations are used to compare the electronic structure of 2 with similar MnIII-hydroperoxo and MnIII-alkylperoxo complexes.

Infrared Fingerprint and Unimolecular Decay Dynamics of the Hydroperoxyalkyl Intermediate (•QOOH) in Cyclopentane Oxidation.

A transient carbon-centered hydroperoxyalkyl intermediate (•QOOH) in the oxidation of cyclopentane is identified by IR action spectroscopy with time-resolved unimolecular decay to hydroxyl (OH) radical products that are detected by UV laser-induced fluorescence. Two nearly degenerate •QOOH isomers, β- and γ-QOOH, are generated by H atom abstraction of the cyclopentyl hydroperoxide precursor. Fundamental and first overtone OH stretch transitions and combination bands of •QOOH are observed and compared with anharmonic frequencies computed by second-order vibrational perturbation theory. An OH stretch transition is also observed for a conformer arising from torsion about a low-energy CCOO barrier. Definitive identification of the β-QOOH isomer relies on its significantly lower transition state (TS) barrier to OH products, which results in rapid unimolecular decay and near unity branching to OH products. A benchmarking approach is utilized to compute high-accuracy stationary point energies, most importantly TS barriers, for cyclopentane oxidation (C5H9O2), building on higher level reference calculations for ethane oxidation (C2H5O2). The experimental OH product appearance rates are compared with computed statistical microcanonical rates using RRKM theory, including heavy-atom tunneling, thereby validating the computed TS barrier. The results are extended to thermal unimolecular decay rate constants at temperatures and pressures relevant to cyclopentane combustion via master-equation modeling. The various torsional and ring puckering states of the wells and transition states are explicitly considered in these calculations.

ESR-thermochronometry of the MIZ1 borehole, Tono, Japan

Previous studies have shown that the low-relief Tono region (Japan) underwent Quaternary exhumation at rates of <1 mm yr-1. Here we explore whether electron spin resonance (ESR) signals of quartz from six samples from the MIZ1 borehole can resolve such low rates of exhumation, or whether the samples are in thermal equilibrium with ambient borehole temperature. ESR thermochronometry requires that both sample-specific signal saturation and thermal decay are constrained in the laboratory, which makes measurements highly time-consuming. To overcome this, the development of a standardised growth curve (SGC) was explored, which allowed more rapid constraint of the trapped-charge concentrations of each of the samples. Thermal kinetic parameters were determined using an isothermal decay experiment for each individual sample and except for sample MIZ1-01, it was possible to fit all the isothermal decay data together to yield a single set of kinetic parameters that successfully described the dataset. Using a single set of kinetic parameters also allows faster measurement. The ESR thermochronometry results show that the MIZ1 samples are not in thermal equilibrium, but rather reflect ongoing exhumation in this region. Exhumation rates determined from the Al-centre are consistent with existing thermochronometric data and indicate total exhumation of 385 ± 220 m over the past 1 Myr. In contrast the different Ti-centre options (A, B, D) yield a total exhumation of ∼1 km over the same period. The cause of this discrepancy is unclear but may relate to sub-linearity of Ti-centre dose response, that lead to underestimation of the trapped-charge concentration and hence an overestimation of exhumation rates. Our results indicate that ESR-thermochronometry can be successfully applied in low-relief zones undergoing exhumation at rates <1 mm yr-1, and that an SGC and common thermal kinetic parameters may be used to expediate sample measurements.

Tectono-thermal evolution from the proximal to hyperextended domains of the northern South China Sea margin since initial rifting

The Pearl River Mouth Basin (PRMB) is located on the northern margin of the South China Sea (SCS). Heat flow measurements indicate that the PRMB is a typical ‘hot basin' characterized by a high background heat flow. However, the tectono-thermal evolution of the PRMB and the mechanisms involved are still controversial due to the different input parameters used in tectono-thermal models, small datasets and the limited area of the basin studied. We used tectono-thermal modelling with a multi-stage finite stretching model, constrained by extensive well data, to systematically analyse the tectono-thermal evolution of the PRMB since the onset of rifting. The study area was expanded relative to previous studies to cover both the proximal and hyperextended regions of the northern SCS margin, providing a more comprehensive understanding of its tectono-thermal history. Numerous wells and seismic data covering the entire basin were used, along with appropriate input parameters, to address the gaps in previous studies and to enhance the accuracy of the results. Our findings indicate that the PRMB underwent two phases of heating, primarily due to thinning caused by lithospheric extension during rifting. By the end of rifting, the Northern Depression Zone and the Kaiping Sag had reached peak heat flow, while the Panyu Lower Uplift and Baiyun Sag saw their highest heat flow since the initial rifting. The PRMB experienced thermal decay during the post-rift stage, but a significant reheating event occurred from 23.03 to 13.82 Ma, likely due to northwards lower crustal flow from the Baiyun Sag. The Panyu Lower Uplift and the Baiyun Sag had reached their peak heat flow by 13.82 Ma and the heat flow generally increased by 1–3 mW m −2 in the other studied areas during this stage. The basin's thermal decay slowed at 5.33 Ma and localized heating events linked to magmatic activities in the southern Dongsha Uplift were observed. In general, the proximal domain of the northern SCS margin reached peak heat flow by the end of rifting, whereas the hyperextended domain reached peak heat flow by 13.82 Ma. The heat flow in the hyperextended domain was generally higher than that in the proximal domain as a result of the thinner crust of the hyperextended domain caused by intense multiple lithospheric detachment–extensional thinning processes. During the rifting stage, the lithospheric extensional thinning process was the most important factor influencing the tectono-thermal evolution of the northern SCS margin, while lower crustal flow and magmatism were the most important factors during the post-rift stage.

Generation of strong mechanical squeezing through the joint effect of two-tone driving and parametric pumping

We propose an innovative scheme to efficiently prepare strong mechanical squeezing by utilizing the synergistic mechanism of two-tone driving and parametric pumping in an optomechanical system. By reasonably choosing the system parameters, the proposal highlights the following prominent advantages: the squeezing effect of the cavity field induced by the optical parametric amplifier can be transferred to the mechanical oscillator, which has been squeezed by the two-tone driving, and the degree of squeezing of the mechanical oscillator will surpass that obtained by any single mechanism; the joint mechanism can enhance the degree of squeezing significantly and break the 3 dB mechanical squeezing limit, which is particularly evident in range where the red/blue-detuned ratio is sub-optimal; the mechanical squeezing achieved through this distinctive joint mechanism exhibits notable robustness against both thermal noise and decay of mechanical oscillator. Our project offers a versatile and efficient approach for generating strong mechanical squeezing across a wide range of conditions.

Thermal Property Estimation of Thin-Layered Structures by Means of Thermoreflectance Measurement and Network Identification by Deconvolution Algorithm

Abstract Laser-induced forward transfer (LIFT) is a powerful tool for micro and nanoscale digital printing of metals for electronic packaging. In the metal LIFT process, the donor thin metal film is propelled to the receiving substrate and deposited on it. Morphology of the deposited metal varies with the thermodynamic responses of the donor thin film during and after the laser heating. Thus, the thermophysical properties of the multilayered donor sample are important to predict the LIFT process accurately. Here, we investigated thermophysical properties of a 100 nm-thick gold coated on 0.5 mm-thick sapphire and silicon substrates by means of the nanosecond time-domain thermoreflectance (ns-TDTR) analyzed by the network identification by deconvolution (NID) algorithm, which does not require numerical simulation or analytical solution. The NID algorithm enabled us to extract the thermal time constants of the sample from the nanosecond thermal decay of the sample surface. Furthermore, the cumulative and differential structure functions allowed us to investigate the heat flow path, giving the interfacial thermal resistance and the thermal conductivity of the substrate. After calibration of the NID algorithm using the thermal conductivity of the sapphire, the thermal conductivity of the silicon was determined to be 107–151 W/(m K), which is in good agreement with the widely accepted range of 110–148 W/(m K). Our study shows the feasibility of the structure function obtained from the single-shot TDTR experiments for thermal property estimation in laser processing and electronics packaging applications.

Research on lifetime prediction method of FBGs with different reflectance based on thermal decay characterization

Based on the distinct thermal decay traits of high-reflectance FBGs (Reflectance = 98%) and low-reflectance FBGs (Reflectance = 10%), it's proposed that different grating strength characterizations be applied to predict their lifespan. Using isothermal and isochronous annealing methods to track high-temperature strength decay, we establish a master aging curve. This informs a temperature-specific time-dependent life prediction model for FBG strength. Experiments and simulations reveal that over 876,000 h at 37 °C, reflectance reduction was 1.07% for high-reflectance FBGs and 1.896% for low-reflectance FBGs, with NICC decreases of 0.0564 and 0.0995, respectively. Adopting NICC and reflectance as respective indicators for high-reflectance and low-reflectance FBGs refines the detection of minor intensity declines.

Exploring the potential of chemical recycling of waste medium-density fiberboards (MDF) under oxidative and pyrolytic conditions

Medium-density fiberboards (MDFs) have been widely used to replace natural wood in structural and non-structural applications (mostly in furniture). On the positive side, the use of MDF has certainly reduced the level ofdeforestation. However, there is a need to develop a safe and effective treatment method for waste MDF as the presence of chemical additives in MDF and the generation of fine wood dust pose environmental and health challenges. Thermal decomposition of MDF taps into the “waste-to-energy” approach that has been broadly utilized in the disposal of organic-based wastes. Along this line of inquiry, this study entails three aims; (i) to compute thermodynamics and kinetic functions that govern the decomposition of MDF at conditions encountered at real pyrolytic and combustion conditions in waste incinerators; (ii) to acquire the temperature-dependent profiles of decomposition products; and (iii) to report ultimate and proximate analyses of MDF. Under both pyrolytic and combustion conditions, the thermal decay of MDF exhibits three stages that reflect its structural composition. Pertinent thermo-kinetic parameters were computed using model-fitting and iso-conversational formalisms. The nitrogen content in MDF peaked at 6.3%; significantly higher than that of natural wood (i.e., 1%) and originated from the use of urea formaldehyde resin. Chemical analysis indicates that nitrogenated (i.e., N,N-Dimethylacetamide) and oxygenated (i.e., catechol) products dominate the composition of the non-condensable fraction upon pyrolysis and oxidation of MDF. Such a finding calls for the importance of a post-treatment catalytic process that converts N- and O-containing products into pure hydrocarbons. The high nitrogen content in char of MDF indicates its potential utilization as soil nutrients. Values and insights reported herein are to establish a technical foundation for a biorefinery or a thermal facility that uses waste MDF as a feedstock.

Exploring the use of averaged thermal kinetic parameters in luminescence thermochronometry

In luminescence thermochronometry, the thermal stability of feldspar minerals is conventionally constrained from isothermal decay experiments. However, despite recent refinement of the measurement protocol, measurements take several days and are routinely done for each individual sample. Following that most other thermochronometric methods usually use only a single reference set of thermal kinetic parameters, and that recent studies on direct physical probing of feldspar sample properties have shown that trap depth and band-tail width are broadly similar despite large variations in chemical composition, we sought to optimise luminescence thermochronometry measurements by exploring whether a single set of thermal kinetic parameters can describe luminescence thermal decay in feldspar. We explored the effect of using averaged thermal kinetic parameters rather than sample-specific thermal kinetic parameters to model luminescence signal accumulation under different thermal conditions. A set of K- and Na-feldspar minerals extracted from all over the world were analysed after being measured with a multi-elevated temperature protocol, comprising four different IRSL signals at 50, 100, 150, and 225 °C. Comparisons were done between the thermal kinetic parameters of each IRSL signal depending on different variables such as geographic region, transect, lithology, or mineralogy of the analysed feldspar grains. Even though it is not possible to generalise the thermal kinetic parameters between IRSL signals measured at different temperatures, the variance between the thermal kinetic parameters of different samples measured at the same IRSL temperature is consistent with the uncertainties on the individual parameters (i.e., <2–10%), suggesting that averaged, rather than sample-specific values may be appropriate. We then explored the effect of using these averaged parameters to model luminescence signal accumulation under different synthetic and natural thermal conditions. For our dataset, results show minimal impact on the obtained cooling histories and exhumation rates. We therefore propose the use of averaged rather than sample-specific thermal kinetic parameters for rapid investigation of luminescence thermochronometry samples. Based on careful initial characterisation of a few samples to verify the validity of using averaged thermal kinetic parameters, this would reduce measurement times by ca. 50% (i.e., 3–4 days per sample), allowing higher resolution sampling and measurement.

Study on the Friction and Wear Properties of Multiple Rare-Earth-Oxide-Reinforced Resin-Based Friction Materials.

Aiming to solve the problem of thermal decay of resin-based friction materials at high temperatures, rare-earth-lanthanum-oxide-/cerium-oxide-reinforced resin-based friction plates were prepared using a hot-pressing molding process. The effect of lanthanum/cerium oxide with different contents on the mechanical and tribological properties of the resin-based friction of materials was studied, and its mechanism was explored. The result shows that lanthanum/cerium oxide improves the mechanical and tribological properties of materials so that the coefficient of friction of the specimen is more stable on adding lanthanum/cerium oxide at 5% and 1%. Lanthanum/cerium oxide improves antidegradation properties of resin-based material and reduces the high-temperature wear rate by enhancing the interfacial effect so that the wear form of the specimen changes from predominantly adhesive wear to predominantly abrasive wear.

Melting heat transfer of a quadratic stratified Jeffrey nanofluid flow with inclined magnetic field and thermophoresis

Recently, researchers are facing great challenges to form the homogeneous solutions of various liquids at biomedical and industrial levels. Such homogeneous solutions can be controlled through stratification phenomenon directly which is ignored by the researchers in the existing literature specifically quadratic stratification and melting heat mechanism which is valid only for higher temperature processes. Thus, to form the homogeneous and stable liquid solutions for various industrial processes, we investigate the melting heat phenomenon in quadratic stratified Jeffery Nano fluid flow deformed due to linearly stretching sheet along with stagnation point. Inclined constant magnetic field is implemented on the fluid through an arbitrary angel. Characteristics of heat and transportations are disclosed through viscous dissipation, Brownian motion and thermphoresis. Temperature and concentration of the surrounding fluids are assumed higher than the stretching surface. The resultant governing equations are reduced to ordinary differential equations through proper transformations. Convergent analytical series solutions are computed via homotopic approach. Impact of various emerging parameters on temperature, velocity and concentration fields are illustrated and discussed comprehensively. Sherwood and Nusselt numbers and drag force are scrutinized mathematically, physically and graphically. It is analyzed from the study that (i) dominant melting reduces the temperature field (ii) higher thermal and solutal stratification decay the temperature and concentration fields respectively (iii) higher thermophoresis enhances the temperature field. Further, it is concluded that stable and homogeneous solutions may be made by increasing melting and reducing stratification phenomena. This study will help us to provide actual amount of heat for heating processes in industries and biomedicine which is the basic requirement for excellent quality of products.

New metamorphic constraints on the Nova-Bollinger Ni–Cu deposit, Fraser Zone, Western Australia

Metamorphic investigations were conducted using mineral chemistry, phase equilibria modelling and conventional thermobarometry on four metamorphic country rock samples from the Nova-Bollinger Ni–Cu deposit, Western Australia. New P–T constraints obtained from phase equilibria modelling of garnet-bearing granulites and cordierite–sillimanite-bearing metasedimentary rocks indicate that the Nova-Bollinger deposit formed at mid-crustal depths (0.75–0.76 GPa and 880–920 °C), along high thermal gradients around 1200 °C/GPa. Peak metamorphic conditions are consistent with those obtained from the Nova-Bollinger intrusive rocks, and with metagabbros from the southern Fraser Zone, but are slightly elevated relative to metapelites examined in the southern Fraser Zone. The peak metamorphic conditions at Nova-Bollinger reflect the combined effects of regional-scale high-T conditions during orogenesis superimposed by contact metamorphism in a thermal aureole adjacent to the Nova-Bollinger mafic–ultramafic magmas. Thermal metamorphism may have been further enhanced by local heat transfer from intruding sulfide liquid, which pervasively infiltrated country rocks on scales of tens to hundreds of metres beneath the orebodies. This additional heat source may be locally significant, despite being volumetrically limited. Retrograde P–T conditions were determined by garnet–biotite conventional thermobarometry of garnet-core–matrix biotite pairs (0.29–0.45 GPa and 550–640 °C). These P–T conditions suggest that the Nova-Bollinger country rocks cooled along a near-isobaric cooling path and reflect the effects of thermal decay following emplacement of voluminous magmas into the Fraser Zone during Stage I Albany–Fraser Orogeny.

Determining the Effect of Photovoltaic Module Surface Temperature on Generation Efficiency

It is imperative to consider the environmental impact of energy production and its cost in deciding how to meet future energy needs. In this regard, it is possible to harness the power of the sun by using photovoltaic (PV) cells. However, when the temperature of a PV cell increases, its generation efficiency is negatively affected. The open-circuit voltage of PV modules is the most sensitive parameter to temperature changes. As the temperature rises, this parameter decreases, and the short-circuit current increases. The circuit's resistance also rises as the electrons’ speed is reduced. Temperature also affects the lifespan of PV cells, increasing the rate of thermal decay in their materials. On the other hand, when solar radiation is absorbed at lower temperatures, the system’s efficiency, power capacity, and useful life increase. PV module surface temperatures can be reduced in a variety of ways, e.g., the surface can be cooled using water. This work studied hybrid PV-thermal modules under the climate conditions of the Hatay province (Turkey) in order to assess the effect of water cooling on their generation efficiency. The results allow stating that up to 52.6% more electricity can be generated by cooling the module's surface. Additionally, it was found that, in order for PV modules to perform efficiently in Hatay's climate, they must operate at a maximum surface temperature of 55 °C.

“A classical method for synthesis of epoxy-amino acid nanostructure composites with an enhanced property”

Here we have introduced the novel method for the processing of amino acid and epoxy composite preparation. Which generates new nanostructure composites from the stoichiometric combination of both amino acid and epoxy resin. Here the active functional hydroxy amino acids as well as amine were utilized as one of the reagents. The advantage for the duel functional group plays an important role in final composite for its strength and structural morphology of nanocomposites. The dispersion ability of this nanostructure was tested by using a non-conventional sonication method for coating formulation. The particle size plays an important role while dispersing the composites into the matrix. Organic solvents have been used during the composite preparation which provides synergy for the chemical combination. SEM images suggest the continuous dispersion and intact of the nanostructure nature of the final composites in the polymer matrix. DSC/TGA thermal degradation suggested the composite pattern with reference to the thermal decay events also the covalent bonding structure is also analyzed. Similarly, the strength of polymer nanocomposite was verified with the mechanical properties with ASTM standards. Eventually the presents of amino acid functionality in final composites structure breeds the antimicrobial nature.

Measurements of particulate methanesulfonic acid above the remote Arctic Ocean using a high resolution aerosol mass spectrometer

Methanesulfonic acid (MSA) is an important product from the oxidation of dimethyl sulfide (DMS), and thus is often used as a tracer for marine biogenic sources and secondary organic aerosol. MSA also contributes to aerosol mass and potentially to the formation of cloud condensation nuclei and new particles. However, measurements of MSA at high temporal resolution in the remote Arctic are scarce, which limits our understanding of its formation, climate change impact and regional transport. Here, we applied a validated quantification method to determine the mass concentration of MSA and non-sea salt sulfate (nss-SO4) in PM2.5 in the marine boundary layer, using a high resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) during a research cruise to the Arctic and North Atlantic Ocean, between 55 °N and 68 °N (26th May to June 23, 2022). With this method, the concentrations of MSA in the remote Arctic marine boundary layer were determined for the first time. Results show that the average MSA concentration was 0.025 ± 0.03 μg m−3, ranging from <0.01 to 0.32 μg m−3. The lowest MSA level was found towards the northern leg of the cruise (near Sisimut (67 °N)) with air masses from sea ice over the northern polar region, and the highest MSA concentrations were observed over the Atlantic open ocean. The diurnal cycles of gas MSA, particulate MSA and nss-SO4 peaked in the afternoon, about one hour later than that of peak of solar radiation, which suggests that photochemical process is an important mechanism for the conversion of DMS into MSA above the remote ocean. The mass ratio of MSA to nss-SO4 (MSA/nss-SO4) presents a temperature dependence, which indicates that the addition branching pathway favors MSA formation, while thermal decay of intermediate radicals could be a possible pathway for sulfate formation. Finally, we found that the MSA/nss-SO4 ratio is around 0.22-0.25 in the remote northern marine atmosphere.

Responses of quark-antiquark interactions and heavy quark dynamics to magnetic fields

We investigate the impact of the magnetic field generated by colliding nuclei on heavy quark-antiquark interactions and heavy quark dynamics in the quark-gluon plasma (QGP). By means of the hard-thermal-loop resummation technique combined with dimension-two gluon condensates, the static heavy quark potential and heavy quark momentum diffusion coefficient, which incorporate both perturbative and nonperturbative interactions between heavy quarks and the QGP medium, are computed beyond the lowest Landau level approximation. We find that the imaginary part of the heavy quark potential in the magnetic field exhibits significant anisotropy. Specifically, the absolute value of the imaginary part is larger when the quark-antiquark separation is aligned perpendicular to the magnetic field direction, compared to when it is aligned parallel to the magnetic field direction. The heavy quark momentum diffusion coefficient in the magnetized QGP medium also becomes anisotropic. As the temperature rises, the influence of higher Landau levels becomes increasingly significant, resulting in a decrease in the anisotropy ratio of the heavy quark momentum diffusion coefficient to values even below 1. At sufficiently high temperatures, this ratio ultimately approaches 1. The nonperturbative interactions are indispensable for understanding heavy quark dynamics in the low-temperature region. We also study the response of viscous quark matter to the magnetic field and explore its implications for heavy quark potential, thermal decay widths of quarkonium states, as well as heavy quark momentum diffusion coefficient. Published by the American Physical Society 2024

Thermal stability of the electron spin resonance signal of modern continental barite

The electron spin resonance (ESR) method has been successfully applied to dating hydrothermal barite; however, there have been few studies of modern continental barite, such as that generated by fault movement or in sedimentary deposits. To better understand the geological processes involved in the formation of continental barite, its thermal characteristics and age firstly need to be defined. In this study, one fault barite sample and two sedimentary barite samples were obtained from continental sites in China for ESR signal thermal stability experiments. Microwave-power experiments indicate that 0.5 mW produces the maximum ESR signal intensity and the highest signal-to-noise ratio. Stepwise-heating results reveal that ESR signal intensities remain stable below 100 °C then show an increasing trend that peaks at ∼180 °C, following which they decrease rapidly between 180 and 320 °C and disappear at ∼380 °C. Isothermal heating results show that ESR signal intensities remain stable within a temperature range of 100–200 °C but show a decreasing trend for temperatures of 240–320 °C. These results indicate that the thermal decay of the ESR signal intensity for the three studied continental barites follows second-order decay kinetics. The thermal lifetimes calculated for the three samples are 6.3 × 108, 7.5 × 107, and 8.7 × 106 a, respectively. Thus, barite ESR dating can be used to date related geological events since early Pleistocene.

Isomer-resolved unimolecular dynamics of the hydroperoxyalkyl intermediate (•QOOH) in cyclohexane oxidation

The oxidation of cycloalkanes is important in the combustion of transportation fuels and in atmospheric secondary organic aerosol formation. A transient carbon-centered radical intermediate (•QOOH) in the oxidation of cyclohexane is identified through its infrared fingerprint and time- and energy-resolved unimolecular dissociation dynamics to hydroxyl (OH) radical and bicyclic ether products. Although the cyclohexyl ring structure leads to three nearly degenerate •QOOH isomers (β-, γ-, and δ-QOOH), their transition state (TS) barriers to OH products are predicted to differ considerably. Selective characterization of the β-QOOH isomer is achieved at excitation energies associated with the lowest TS barrier, resulting in rapid unimolecular decay to OH products that are detected. A benchmarking approach is employed for the calculation of high-accuracy stationary point energies, in particular TS barriers, for cyclohexane oxidation (C6H11O2), building on higher-level reference calculations for the smaller ethane oxidation (C2H5O2) system. The isomer-specific characterization of β-QOOH is validated by comparison of experimental OH product appearance rates with computed statistical microcanonical rates, including significant heavy-atom tunneling, at energies in the vicinity of the TS barrier. Master-equation modeling is utilized to extend the results to thermal unimolecular decay rate constants at temperatures and pressures relevant to cyclohexane combustion.

Correlation functions for open strings and chaos

We study the holographic interpretation of the bulk instability, i.e. the bulk Lyapunov exponent in the motion of open classical bosonic strings in AdS black hole/brane/string backgrounds. In the vicinity of homogeneous and isotropic horizons the bulk Lyapunov exponent saturates the MSS chaos bound but in fact has nothing to do with chaos as our string configurations live in an integrable sector. In the D1-D5-p black string background, the bulk Lyapunov exponent is deformed away from the MSS value both by the rotation (the infrared deformation) and the existence of an asymptotically flat region (the ultraviolet deformation). The dynamics is still integrable and has nothing to do with chaos (either in gravity or in field theory). Instead, the bulk Lyapunov scale captures the imaginary part of quasinormal mode frequencies. Therefore, the meaning of the bulk chaos is that it determines the thermal decay rate due to the coupling to the heat bath, i.e. the horizon.